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Crystal structure francisella tularensis histidine acid phosphatase complexed with phosphate
Analyse Crystal structure francisella tularensis histidine acid phosphatase complexed… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3IT0
- Type
- protein
- Length
- 658 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acid phosphatase
- EC
- 3.1.3.2
- UniProt
- Q2A612
- Ligands
- PO4
- Pockets
- 4 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Acid phosphatase (EC 3.1.3.2) | protein | 329 | 46% helix, 16% strand | Q2A612 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · 2 copies · chains A, B
- PG0 · 2-(2-methoxyethoxy)ethanol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 376 | 0.67 | 0.80 | 57 | PO4 |
| 2 | 293 | 0.66 | 0.82 | 46 | PO4 |
| 3 | 56 | 0.31 | 0.76 | 16 | empty |
| 4 | 62 | 0.29 | 0.74 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1735 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 3IT0 · Crystal Structure Francisella tularensis histidine acid phosphatase complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q2A612
- Elsewhere: RCSB PDB 3IT0 · PDBe 3IT0 · UniProt Q2A612
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